MMsINC Database Search


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MMsINC code: MMs02519432

Type: Neutral
Formula: C₁₆H₉FN₂O₂

SMILES:

Fc1cc\2c(NC(=O)/C/2=C\2/Nc3c(cccc3)C/2=O)cc1

InChI:

InChI=1/C16H9FN2O2/c17-8-5-6-12-10(7-8)13(16(21)19-12)14-15(20)9-3-1-2-4-11(9)18-14/h1-7,18H,(H,19,21)/b14-13-

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=98.2969 kcal/mol

Physical Properties
Molecular Weight: 280.258 g/mol	logS: -4.62986	SlogP: 2.7973	Reactive groups: 1

Topological Properties
Globularity: 0.0015099	Sterimol/B1: 2.18796	Sterimol/B2: 2.28986	Sterimol/B3: 3.64859
Sterimol/B4: 6.18313	Sterimol/L: 14.6204

Surface and Volume Properties
Accessible surface: 462.508	Positive charged surface: 244.089	Negative charged surface: 218.42	Volume: 242.25
Hydrophobic surface: 343.702	Hydrophilic surface: 118.806

Pharmacophoric Properties
Hydrogen bond donors: 2	Hydrogen bond acceptors: 2	Acid groups: 0	Basic groups: 0
Chiral centers: 0

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.